[4-[[butan-2-yl(cyclobutylcarbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-[[butan-2-yl(cyclobutylcarbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[[cyclobutanecarbonyl(sec-butyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[[butan-2-yl-[cyclobutyl(oxo)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(cyclobutanecarbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[[cyclobutanecarbonyl(sec-butyl)amino]methyl]phenyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3CCC3

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3CCC3

InChI

InChI=1S/C24H30N2O5S/c1-4-17(2)26(24(28)20-6-5-7-20)16-19-8-12-22(13-9-19)31-32(29,30)23-14-10-21(11-15-23)25-18(3)27/h8-15,17,20H,4-7,16H2,1-3H3,(H,25,27)